N-(3-cyanopropyl)azepane-1-sulfonamide

C10H19N3O2S — CID 62665686

IUPACN-(3-cyanopropyl)azepane-1-sulfonamide
SMILESN#CCCCNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C10H19N3O2S/c11-7-3-4-8-12-16(14,15)13-9-5-1-2-6-10-13/h12H,1-6,8-10H2
InChIKeyDIRNTTXQTRPUBI-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.00
Rot. Bonds5

About N-(3-cyanopropyl)azepane-1-sulfonamide

N-(3-cyanopropyl)azepane-1-sulfonamide (PubChem CID 62665686) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-(3-cyanopropyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-cyanopropyl)azepane-1-sulfonamide
PubChem CID62665686
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-(3-cyanopropyl)azepane-1-sulfonamide
SMILESN#CCCCNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C10H19N3O2S/c11-7-3-4-8-12-16(14,15)13-9-5-1-2-6-10-13/h12H,1-6,8-10H2
InChIKeyDIRNTTXQTRPUBI-UHFFFAOYSA-N
XLogP1.00
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)azepane-1-sulfonamide
CID 28785017
N-(3-chloropropyl)piperidine-1-sulfonamide
CID 43133782
N-(6-aminohexyl)piperidine-1-sulfonamide
CID 114008123
N-[3-(ethylsulfonylamino)propyl]azepane-1-sulfonamide
CID 49459638
5-(azepan-1-ylsulfonyl)pentanenitrile
CID 28704816
N-(2-aminoethyl)piperidine-1-sulfonamide;hydrochloride
CID 119959959
N-(3-methoxypropyl)pyrrolidine-1-sulfonamide
CID 110705733
N-[2-(ethylamino)ethyl]azepane-1-sulfonamide
CID 62665481
2-(piperidin-1-ylsulfonylamino)ethanesulfonyl chloride
CID 81357870
N-(3-bromobutyl)piperidine-1-sulfonamide
CID 114297689
N-(3-hydroxybutyl)piperidine-1-sulfonamide
CID 64911230
N-[(3R)-3-aminobutyl]azepane-1-sulfonamide
CID 95037628

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopropyl)azepane-1-sulfonamide?
The IUPAC name of N-(3-cyanopropyl)azepane-1-sulfonamide (CID 62665686) is N-(3-cyanopropyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(3-cyanopropyl)azepane-1-sulfonamide?
The canonical SMILES for N-(3-cyanopropyl)azepane-1-sulfonamide is N#CCCCNS(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-(3-cyanopropyl)azepane-1-sulfonamide?
The InChIKey is DIRNTTXQTRPUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c11-7-3-4-8-12-16(14,15)13-9-5-1-2-6-10-13/h12H,1-6,8-10H2.
What are the key properties of N-(3-cyanopropyl)azepane-1-sulfonamide?
N-(3-cyanopropyl)azepane-1-sulfonamide has a molecular weight of 245.35 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopropyl)azepane-1-sulfonamide is sourced from PubChem (CID 62665686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).